3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide

C27H18Cl4N2O2 — CID 3995292

IUPAC3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C27H18Cl4N2O2/c28-20-10-18(11-21(29)14-20)26(34)32-24-5-1-16(2-6-24)9-17-3-7-25(8-4-17)33-27(35)19-12-22(30)15-23(31)13-19/h1-8,10-15H,9H2,(H,32,34)(H,33,35)
InChIKeyLPFHIYYIIQFCSE-UHFFFAOYSA-N
MW544.27 g/mol
LogP8.40
Rot. Bonds6

About 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide

3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide (PubChem CID 3995292) has the molecular formula C27H18Cl4N2O2 and a molecular weight of 544.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
PubChem CID3995292
Molecular FormulaC27H18Cl4N2O2
Molecular Weight544.27 g/mol
Exact Mass542.01
IUPAC Name3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C27H18Cl4N2O2/c28-20-10-18(11-21(29)14-20)26(34)32-24-5-1-16(2-6-24)9-17-3-7-25(8-4-17)33-27(35)19-12-22(30)15-23(31)13-19/h1-8,10-15H,9H2,(H,32,34)(H,33,35)
InChIKeyLPFHIYYIIQFCSE-UHFFFAOYSA-N
XLogP8.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.27
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
CID 14146500
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
N-[3-(bromomethyl)phenyl]-3,5-dichlorobenzamide
CID 77231175
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
CID 55638128

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide (CID 3995292) is 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide is O=C(Nc1ccc(Cc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide?
The InChIKey is LPFHIYYIIQFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl4N2O2/c28-20-10-18(11-21(29)14-20)26(34)32-24-5-1-16(2-6-24)9-17-3-7-25(8-4-17)33-27(35)19-12-22(30)15-23(31)13-19/h1-8,10-15H,9H2,(H,32,34)(H,33,35).
What are the key properties of 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide?
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide has a molecular weight of 544.27 g/mol, XLogP of 8.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide is sourced from PubChem (CID 3995292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).